5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C13H12N4O — CID 22433725

IUPAC5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(-c2nc3nc(C)cc(=O)n3[nH]2)c1
InChIInChI=1S/C13H12N4O/c1-8-4-3-5-10(6-8)12-15-13-14-9(2)7-11(18)17(13)16-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyJMKIWZCEXWJITJ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.70
Rot. Bonds1

About 5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 22433725) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID22433725
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(-c2nc3nc(C)cc(=O)n3[nH]2)c1
InChIInChI=1S/C13H12N4O/c1-8-4-3-5-10(6-8)12-15-13-14-9(2)7-11(18)17(13)16-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyJMKIWZCEXWJITJ-UHFFFAOYSA-N
XLogP1.70
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 22433725) is 5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cccc(-c2nc3nc(C)cc(=O)n3[nH]2)c1.
What is the InChIKey of 5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JMKIWZCEXWJITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-4-3-5-10(6-8)12-15-13-14-9(2)7-11(18)17(13)16-12/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 240.27 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 22433725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).